1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane

C12H20O — CID 67747117

IUPAC1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane
SMILESC=COC(=C)C1(C)CCC(C)CC1
InChIInChI=1S/C12H20O/c1-5-13-11(3)12(4)8-6-10(2)7-9-12/h5,10H,1,3,6-9H2,2,4H3
InChIKeyFTANWJAVIXQQLK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.88
Rot. Bonds3

About 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane

1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane (PubChem CID 67747117) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane
PubChem CID67747117
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane
SMILESC=COC(=C)C1(C)CCC(C)CC1
InChIInChI=1S/C12H20O/c1-5-13-11(3)12(4)8-6-10(2)7-9-12/h5,10H,1,3,6-9H2,2,4H3
InChIKeyFTANWJAVIXQQLK-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane?
The IUPAC name of 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane (CID 67747117) is 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane.
What is the SMILES notation for 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane?
The canonical SMILES for 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane is C=COC(=C)C1(C)CCC(C)CC1.
What is the InChIKey of 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane?
The InChIKey is FTANWJAVIXQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-13-11(3)12(4)8-6-10(2)7-9-12/h5,10H,1,3,6-9H2,2,4H3.
What are the key properties of 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane?
1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenoxyethenyl)-1,4-dimethylcyclohexane is sourced from PubChem (CID 67747117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).